Compound Detail
CHEMBL254119
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Basic Information
| ChEMBL ID | CHEMBL254119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBLLYJOWYYMLSE-SFQUDFHCSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
3.07
ALogP
3
HBA
2
HBD
39.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.1
Ki 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | Ki | 6.11 | 6.11 | 770.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 6.1 | 5.925 | 800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | Ki | = | 770.0 | nM | 6.11 | Non-competitive inhibition of mushroom tyrosinase by Lineweaver-Burk plot analys... | 31015905 |
| Tyrosinase | IC50 | = | 800.0 | nM | 6.1 | Inhibition of mushroom tyrosinase diphenolase activity using L-dopa as substrate | 31015905 |
| Tyrosinase | IC50 | = | 1780.0 | nM | 5.75 | Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as sub... | 31015905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17905587 | 10.1016/j.bmc.2007.09.025 | Toxoplasma gondii | 7 |
| 31015905 | 10.1039/C9MD00005D | Tyrosinase | 3 |
| 17905587 | 10.1016/j.bmc.2007.09.025 | Vero | 1 |
Data from ChEMBL 36 via Core Engine